3,7-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 1-benzyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3,7-dimethyl-xanthine Formula: C22H19N7O3 MolecularWeight: 429.43136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C22H19N7O3/c1-27-17-18(28(2)22(32)29(20(17)31)12-13-8-4-3-5-9-13)24-21(27)26-25-16-14-10-6-7-11-15(14)23-19(16)30/h3-11H,12H2,1-2H3,(H,24,26)(H,23,25,30)